4-[4-(ethylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]benzamide

C23H22N4O5S — CID 71617220

IUPAC4-[4-(ethylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]benzamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(C(N)=O)cc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C23H22N4O5S/c1-3-33(30,31)26-15-6-9-20(32-16-7-4-14(5-8-16)22(24)28)18(12-15)19-13-27(2)23(29)21-17(19)10-11-25-21/h4-13,25-26H,3H2,1-2H3,(H2,24,28)
InChIKeyIDLWOORAOHFVHT-UHFFFAOYSA-N
MW466.52 g/mol
LogP3.19
Rot. Bonds7

About 4-[4-(ethylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]benzamide

4-[4-(ethylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]benzamide (PubChem CID 71617220) has the molecular formula C23H22N4O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is 4-[4-(ethylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-(ethylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]benzamide
PubChem CID71617220
Molecular FormulaC23H22N4O5S
Molecular Weight466.52 g/mol
Exact Mass466.13
IUPAC Name4-[4-(ethylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]benzamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(C(N)=O)cc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1
InChIInChI=1S/C23H22N4O5S/c1-3-33(30,31)26-15-6-9-20(32-16-7-4-14(5-8-16)22(24)28)18(12-15)19-13-27(2)23(29)21-17(19)10-11-25-21/h4-13,25-26H,3H2,1-2H3,(H2,24,28)
InChIKeyIDLWOORAOHFVHT-UHFFFAOYSA-N
XLogP3.19
TPSA136.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]benzamide?
The IUPAC name of 4-[4-(ethylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]benzamide (CID 71617220) is 4-[4-(ethylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]benzamide.
What is the SMILES notation for 4-[4-(ethylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]benzamide?
The canonical SMILES for 4-[4-(ethylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]benzamide is CCS(=O)(=O)Nc1ccc(Oc2ccc(C(N)=O)cc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1.
What is the InChIKey of 4-[4-(ethylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]benzamide?
The InChIKey is IDLWOORAOHFVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5S/c1-3-33(30,31)26-15-6-9-20(32-16-7-4-14(5-8-16)22(24)28)18(12-15)19-13-27(2)23(29)21-17(19)10-11-25-21/h4-13,25-26H,3H2,1-2H3,(H2,24,28).
What are the key properties of 4-[4-(ethylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]benzamide?
4-[4-(ethylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]benzamide has a molecular weight of 466.52 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylsulfonylamino)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]benzamide is sourced from PubChem (CID 71617220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).